orbital_charges     :real:2:4,3
  0.173421756031778E+001  0.168107427795287E+001  0.117732175106103E+001
  0.200000000000000E+001  0.703693205335640E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.703693205332677E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
  0.488033381187503E-024 -0.627847196454923E-008  0.134025290865480E-010
  0.271845919937154E-015  0.313428562270790E-008  0.813967115931291E-009
 -0.271845920425187E-015  0.314418632796354E-008 -0.827369645017839E-009
mermin_energy       :real:0:
 -0.407793793398691E+001
end_coords          :real:2:3,3
  0.101515051621371E-023 -0.135304390233959E+001 -0.111213451778610E-010
  0.796876958873636E-015 -0.268341043117769E+000  0.147113679735568E+001
 -0.796876959888787E-015 -0.268341043121563E+000 -0.147113679734456E+001
